| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053641
BDB053641
|
BDBM50352214
CS(=O)(=O)N(Cc1ccncc1)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1
|
C24H28N8O2S 492.609000 |
SLTWTVOINKYHIE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352214; PubChem:CID56681977
|
Local ready
Direct docking supported
|
|
E3L053642
BDB053642
|
BDBM50352215
CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1
|
C21H29N7O2S 443.577000 |
BCBUOCNTMGMTQK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352215; PubChem:CID56675317
|
Local ready
Direct docking supported
|
|
E3L053643
BDB053643
|
BDBM50352297
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cccc23)n[nH]1
|
C20H19N7OS 405.487000 |
NOHJLJNUPONZRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352297; PubChem:CID11984538
|
Local ready
Direct docking supported
|
|
E3L053644
BDB053644
|
BDBM50352298
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](O)[C@@H](Oc5ccc(F)cc5)C4)cc3)nn3cccc23)n[nH]1
|
C28H27FN8O3S 574.642000 |
MQWHYEKERKXFQY-RPWUZVMVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352298; PubChem:CID56678650
|
Local ready
Direct docking supported
|
|
E3L053645
BDB053645
|
BDBM50352299
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CCN4CCCCC4)cc23)[nH]n1
|
C28H33N9O2S 559.700000 |
UNGUWAMCUZJLAS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352299; PubChem:CID53340811
|
Local ready
Direct docking supported
|
|
E3L053646
BDB053646
|
BDBM50352300
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCOCC4)cc23)[nH]n1
|
C26H29N9O3S 547.645000 |
DQRVOAFQMMLWCP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352300; PubChem:CID56671934
|
Local ready
Direct docking supported
|
|
E3L053647
BDB053647
|
BDBM50352301
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCCC4)cc23)[nH]n1
|
C26H29N9O2S 531.646000 |
QFOMGFNHXREHSV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352301; PubChem:CID56678646
|
Local ready
Direct docking supported
|
|
E3L053648
BDB053648
|
BDBM50352302
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCC[C@@H]4CO)cc23)[nH]n1
|
C27H31N9O3S 561.672000 |
LSEOXFVSQOHSDK-HXUWFJFHSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352302
|
Local ready
Direct docking supported
|
|
E3L053649
BDB053649
|
BDBM50352303
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)C(=O)N4CCN(C)CC4)cc23)[nH]n1
|
C27H30N10O3S 574.671000 |
SCMPDMAJYNSKMW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352303
|
Local ready
Direct docking supported
|
|
E3L053650
BDB053650
|
BDBM50352304
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C[C@@H]4CO)cc3)nn3cccc23)n[nH]1
|
C27H34N8O3S 550.689000 |
KZBSEJKXWKPCLO-WOJBJXKFSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352304
|
Local ready
Direct docking supported
|
|
E3L053651
BDB053651
|
BDBM50352305
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](Oc5ccc(F)cc5)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C29H29FN8O3S 588.669000 |
LWIAVJGVALWTGR-JTHBVZDNSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352305
|
Local ready
Direct docking supported
|
|
E3L053652
BDB053652
|
BDBM50352306
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H]5C[C@H]5[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C24H26N8O2S 490.593000 |
PIBTTWIAIOIVKG-XFQXTVEOSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352306
|
Local ready
Direct docking supported
|
|
E3L053653
BDB053653
|
BDBM50352307
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C23H25FN8O2S 496.572000 |
JYVCLVPNSVUQHC-RDJZCZTQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352307; PubChem:CID56681968
|
Local ready
Direct docking supported
|
|
E3L053654
BDB053654
|
BDBM50352308
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C23H25FN8O2S 496.572000 |
JYVCLVPNSVUQHC-WBVHZDCISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352308; PubChem:CID53340444
|
Local ready
Direct docking supported
|
|
E3L053655
BDB053655
|
BDBM50352309
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC(F)(F)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C23H24F2N8O2S 514.562000 |
FZVCMCRNWSWUCG-INIZCTEOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352309; PubChem:CID56681967
|
Local ready
Direct docking supported
|
|
E3L053656
BDB053656
|
BDBM50352310
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](OC(C)(C)C)C[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C27H34N8O3S 550.689000 |
KZBSEJKXWKPCLO-VQTJNVASSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50352310
|
Local ready
Direct docking supported
|
|
E3L053657
BDB053657
|
BDBM50352311
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCC[C@H]4CO)cc3)nn3cccc23)n[nH]1
|
C23H26N8O2S 478.582000 |
HOCURELMRBRHRJ-KRWDZBQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352311; PubChem:CID53340809
|
Local ready
Direct docking supported
|
|
E3L053658
BDB053658
|
BDBM50352312
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN(C)C)cc3)nn3cccc23)n[nH]1
|
C20H22N8OS 422.518000 |
GFWYLCYLWSMJSC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352312; PubChem:CID53340685
|
Local ready
Direct docking supported
|
|
E3L053659
BDB053659
|
BDBM50352313
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCOCC4)cc3)nn3cccc23)n[nH]1
|
C22H24N8O2S 464.555000 |
UFATYBRKMMRKGA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352313; PubChem:CID56678647
|
Local ready
Direct docking supported
|
|
E3L053660
BDB053660
|
BDBM50352314
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CNC4CCCC4)cc3)nn3cccc23)n[nH]1
|
C23H26N8OS 462.583000 |
QKYQHNYADWTLSP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50352314; PubChem:CID56681964
|
Local ready
Direct docking supported
|